4U8P

Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Y317A complexed with UDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2014-02-23
Detector	CUSTOM-MADE
Wavelength(s)	1.000
Spacegroup name	P 65 2 2
Unit cell lengths	217.248, 217.248, 320.856
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	55.250 - 2.050
R-factor	0.1689
Rwork	0.168
R-free	0.19320
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3utf
RMSD bond length	0.007
RMSD bond angle	1.030
Data reduction software	XDS (0.2.17)
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	61.040	61.040	2.090
High resolution limit [Å]	2.050	11.230	2.050
Rmerge	0.113	0.024	1.045
Rpim	0.043	0.010	0.403
Total number of observations	2047696	12423	98709
Number of reflections	275353
<I/σ(I)>	14.4	42.6	2.4
Completeness [%]	99.9	97.2	99.9
Redundancy	7.4	6.7	7.3
CC(1/2)	0.998	0.999	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	1.2 - 1.4 M ammonium sulfate and 0.1 M sodium acetate at pH 4.5.